4-(2-methoxyphenyl)sulfonyl-1-[(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(2-methoxyphenyl)sulfonyl-1-[(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 4-(2-methoxyphenyl)sulfonyl-1-[(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 4-(2-methoxyphenyl)sulfonyl-1-[(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(2-methoxyphenyl)sulfonyl-1-[(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 4-(2-methoxyphenyl)sulfonyl-1-(4-phenylbenzyl)isonipecotic acid Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)C2(CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H27NO5S/c1-32-23-9-5-6-10-24(23)33(30,31)26(25(28)29)15-17-27(18-16-26)19-20-11-13-22(14-12-20)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,28,29)